SCHEMBL61275

SCHEMBL61275

C[C@@H](CCC1CCCCC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.46
GABRR1 P24046 2/20 0.43
CYP1A2 P05177 2/20 0.43
METAP2 P50579 1/20 0.40
HPGD P15428 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
BLM P54132 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17590498 1.00 METAP1 (0.46) METAP1GABRR1CYP1A2METAP2HPGD
SCHEMBL6987701 1.00 METAP1 (0.46) METAP1GABRR1CYP1A2METAP2HPGD
SCHEMBL27488750 0.91 ACE2 (0.44) METAP1GABRR1CYP1A2METAP2HPGD
SCHEMBL6156004 0.89 CYP1A2 (0.45) METAP1GABRR1CYP1A2SIGMAR1BLM
SCHEMBL27486952 0.89 ACE2 (0.46) METAP1GABRR1CYP1A2METAP2SLC1A3
SCHEMBL18050478 0.89 CYP1A2 (0.45) METAP1GABRR1CYP1A2SIGMAR1BLM
SCHEMBL27601862 0.85 METAP1 (0.41) METAP1METAP2HPGDSLC1A3SLC1A2
SCHEMBL28740646 0.85 ACE2 (0.46) METAP1GABRR1CYP1A2SLC1A3SLC1A2
SCHEMBL27602009 0.83 METAP1 (0.39) METAP1GABRR1CYP1A2METAP2BLM
SCHEMBL931400 0.82 METAP1 (0.49) METAP1CYP1A2METAP2HPGDSIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446021-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof DOGWOOD PHARMACEUTICALS, INC. (US) 2016-09-20 US disclosed
US-9345789-B2 Specific inhibitors and active site probes for legumain THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-05-24 US disclosed
US-20150313873-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof DOGWOOD PHARMACEUTICALS, INC. 2015-11-05 US disclosed
US-9120754-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof DOGWOOD PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
US-20120251459-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-10-04 US disclosed
US-20120129837-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof ALLERGAN SALES, LLC 2012-05-24 US disclosed
US-8129519-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof ALLERGAN SALES, LLC 2012-03-06 US disclosed
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF ALLERGAN SALES, LLC 2010-06-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120129837-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof WNT1, CTNND1, CTNNB1 METAP1 4431/4885GABRR1 4697/4885CYP1A2 1764/4885
US-20150313873-A1 Derivatives of Fluorene, Anthracene, Xanthene, Dibenzosuberone and Acridine and Uses Thereof WNT1, CTNND1, CTNNB1 METAP1 4431/4885GABRR1 4697/4885CYP1A2 1764/4885
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF WNT1, CTNND1, CTNNB1 METAP1 4431/4885GABRR1 4697/4885CYP1A2 1764/4885
US-20120251459-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN ENGASE, LGMN, DNPEP METAP1 47/4885GABRR1 4313/4885CYP1A2 4100/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.